2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C23H26ClFN2O3S — CID 2300422

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H26ClFN2O3S/c24-20-10-12-21(13-11-20)31(29,30)27(16-19-8-4-5-9-22(19)25)17-23(28)26-15-14-18-6-2-1-3-7-18/h4-6,8-13H,1-3,7,14-17H2,(H,26,28)
InChIKeyVHTCQMNDXSYAEA-UHFFFAOYSA-N
MW464.99 g/mol
LogP4.68
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2300422) has the molecular formula C23H26ClFN2O3S and a molecular weight of 464.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2300422
Molecular FormulaC23H26ClFN2O3S
Molecular Weight464.99 g/mol
Exact Mass464.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H26ClFN2O3S/c24-20-10-12-21(13-11-20)31(29,30)27(16-19-8-4-5-9-22(19)25)17-23(28)26-15-14-18-6-2-1-3-7-18/h4-6,8-13H,1-3,7,14-17H2,(H,26,28)
InChIKeyVHTCQMNDXSYAEA-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2300422) is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is VHTCQMNDXSYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3S/c24-20-10-12-21(13-11-20)31(29,30)27(16-19-8-4-5-9-22(19)25)17-23(28)26-15-14-18-6-2-1-3-7-18/h4-6,8-13H,1-3,7,14-17H2,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 464.99 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2300422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).